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Pinometostat (EPZ5676) - ≥98%, high purity , CAS No.1380288-87-8, Inhibitor of DOT1 like histone lysine methyltransferase

COA

Grade & Purity:

Moligand™

≥98%

Cas Number: 1380288-87-8
Molecular Weight: 562.71
PubChem CID: 57345410
PubChem SID: 488201822

In stock

Item Number

E125307

Grouped product items
SKU	Size	Availability	Price
E125307-1mg	1mg	3	$16.90
E125307-5mg	5mg	4	$68.90
E125307-10mg	10mg	4	$98.90
E125307-25mg	25mg	4	$206.90
E125307-50mg	50mg	3	$355.90

View related series

DOT1 like histone lysine methyltransferase Inhibitor (5) Epigenetics (1496) Histone Methyltransferase (190) Histone Modification (1379)

Basic Description

Synonyms	(2R,3R,4S,5R)-2-(6-Amino-9H-purin-9-yl)-5-(((3-(2-(5-(tert-butyl)-1H-benzo[d]imidazol-2-yl)ethyl)cyclobutyl)(isopropyl)amino)methyl)tetrahydrofuran-3,4-diol \| Q27277695 \| rel-N1-[(1R,2S)-2-Phenylcyclopropyl]-1,4-cyclohexanediamine hydrochloride (1:2) \| SC
Specifications & Purity	Moligand™, ≥98%
Biochemical and Physiological Mechanisms	The compound has a Ki value of 80 pM, and demonstrates 37,000-fold selectivity over all other methyltransferases tested. In cellular studies, EPZ-5676inhibited H3K79 methylation and MLL-fusion target gene expression and demonstrated potent cell killing th
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Grade	Moligand™
Action Type	INHIBITOR
Mechanism of action	Inhibitor of DOT1 like histone lysine methyltransferase
Product Description	Pinometostat (EPZ5676) is an S-adenosyl methionine (SAM) competitive inhibitor of protein methyltransferase DOT1L with Ki of 80 pM in a cell-free assay, demonstrating >37,000-fold selectivity against all other PMTs tested, inhibits H3K79 methylation in tumor.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Nucleosides, nucleotides, and analogues
  - Class 5'-deoxyribonucleosides

Kingdom	Organic compounds
Superclass	Nucleosides, nucleotides, and analogues
Class	5'-deoxyribonucleosides
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	5'-deoxyribonucleosides
Alternative Parents	Glycosylamines Pentoses 6-aminopurines Benzimidazoles Aminopyrimidines and derivatives Aralkylamines N-substituted imidazoles Imidolactams Benzenoids Tetrahydrofurans Heteroaromatic compounds Trialkylamines Secondary alcohols 1,2-diols Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Primary amines
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	5'-deoxyribonucleoside - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Pentose monosaccharide - Benzimidazole - Imidazopyrimidine - Purine - Aralkylamine - Aminopyrimidine - Imidolactam - Benzenoid - Pyrimidine - Monosaccharide - N-substituted imidazole - Heteroaromatic compound - Tetrahydrofuran - Azole - Imidazole - Tertiary aliphatic amine - Tertiary amine - 1,2-diol - Secondary alcohol - Azacycle - Oxacycle - Organoheterocyclic compound - Alcohol - Organic nitrogen compound - Amine - Organopnictogen compound - Organic oxygen compound - Primary amine - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as 5'-deoxyribonucleosides. These are nucleosides in which the oxygen atom at the 5'position of the ribose moiety has been replaced by another atom. The nucleobases here are limited to purine, pyrimidine, and pyridine derivatives.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

DOT1L Tchem Histone-lysine N-methyltransferase, H3 lysine-79 specific (2 Activities)

Discover Target: DOT1L

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Names and Identifiers

Pubchem Sid	488201822
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488201822
IUPAC Name	(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[3-[2-(6-tert-butyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-propan-2-ylamino]methyl]oxolane-3,4-diol
INCHI	InChI=1S/C30H42N8O3/c1-16(2)37(13-22-25(39)26(40)29(41-22)38-15-34-24-27(31)32-14-33-28(24)38)19-10-17(11-19)6-9-23-35-20-8-7-18(30(3,4)5)12-21(20)36-23/h7-8,12,14-17,19,22,25-26,29,39-40H,6,9-11,13H2,1-5H3,(H,35,36)(H2,31,32,33)/t17?,19?,22-,25-,26-,29-/m1/s1
InChIKey	LXFOLMYKSYSZQS-XKHGBIBOSA-N
Smiles	CC(C)N(CC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C
Isomeric SMILES	CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C
Molecular Weight	562.71
Reaxy-Rn	28683701
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28683701&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

11 results found

Lot Number	Certificate Type	Date	Item
C2331550	Certificate of Analysis	Jan 15, 2025	E125307
C2331547	Certificate of Analysis	Jan 15, 2025	E125307
C2331553	Certificate of Analysis	Jan 15, 2025	E125307
C23311055	Certificate of Analysis	Jan 15, 2025	E125307
C2331521	Certificate of Analysis	Jan 15, 2025	E125307
C2331523	Certificate of Analysis	Jan 15, 2025	E125307
C2331548	Certificate of Analysis	Jan 15, 2025	E125307
C2331549	Certificate of Analysis	Jan 15, 2025	E125307
C2331552	Certificate of Analysis	Jan 15, 2025	E125307
C2331551	Certificate of Analysis	Jan 15, 2025	E125307
C2331470	Certificate of Analysis	Jan 16, 2023	E125307

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Chemical and Physical Properties

Solubility	≥28.15 mg/mL in DMSO; insoluble in H2O; ≥50.3 mg/mL in EtOH with ultrasonic
Molecular Weight	562.700 g/mol
XLogP3	4.300
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	9
Exact Mass	562.338 Da
Monoisotopic Mass	562.338 Da
Topological Polar Surface Area	151.000 Å²
Heavy Atom Count	41
Formal Charge	0
Complexity	884.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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